6-[(3R)-3-[[6-(cyclopropylmethoxy)-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]-N,N,1-trimethyl-4-oxo-2,3-dihydroquinazoline-2-carboxamide

C25H29N5O5 — CID 118425755

IUPAC6-[(3R)-3-[[6-(cyclopropylmethoxy)-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]-N,N,1-trimethyl-4-oxo-2,3-dihydroquinazoline-2-carboxamide
SMILESCN(C)C(=O)C1NC(=O)c2cc(N3CC[C@@H](Oc4ccc(OCC5CC5)nc4)C3=O)ccc2N1C
InChIInChI=1S/C25H29N5O5/c1-28(2)25(33)22-27-23(31)18-12-16(6-8-19(18)29(22)3)30-11-10-20(24(30)32)35-17-7-9-21(26-13-17)34-14-15-4-5-15/h6-9,12-13,15,20,22H,4-5,10-11,14H2,1-3H3,(H,27,31)/t20-,22?/m1/s1
InChIKeyDDHLWKZFVKFDJI-PSDZMVHGSA-N
MW479.54 g/mol
LogP1.65
Rot. Bonds7

About 6-[(3R)-3-[[6-(cyclopropylmethoxy)-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]-N,N,1-trimethyl-4-oxo-2,3-dihydroquinazoline-2-carboxamide

6-[(3R)-3-[[6-(cyclopropylmethoxy)-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]-N,N,1-trimethyl-4-oxo-2,3-dihydroquinazoline-2-carboxamide (PubChem CID 118425755) has the molecular formula C25H29N5O5 and a molecular weight of 479.54 g/mol. Its IUPAC name is 6-[(3R)-3-[[6-(cyclopropylmethoxy)-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]-N,N,1-trimethyl-4-oxo-2,3-dihydroquinazoline-2-carboxamide.

Molecular Properties

Compound Name6-[(3R)-3-[[6-(cyclopropylmethoxy)-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]-N,N,1-trimethyl-4-oxo-2,3-dihydroquinazoline-2-carboxamide
PubChem CID118425755
Molecular FormulaC25H29N5O5
Molecular Weight479.54 g/mol
Exact Mass479.22
IUPAC Name6-[(3R)-3-[[6-(cyclopropylmethoxy)-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]-N,N,1-trimethyl-4-oxo-2,3-dihydroquinazoline-2-carboxamide
SMILESCN(C)C(=O)C1NC(=O)c2cc(N3CC[C@@H](Oc4ccc(OCC5CC5)nc4)C3=O)ccc2N1C
InChIInChI=1S/C25H29N5O5/c1-28(2)25(33)22-27-23(31)18-12-16(6-8-19(18)29(22)3)30-11-10-20(24(30)32)35-17-7-9-21(26-13-17)34-14-15-4-5-15/h6-9,12-13,15,20,22H,4-5,10-11,14H2,1-3H3,(H,27,31)/t20-,22?/m1/s1
InChIKeyDDHLWKZFVKFDJI-PSDZMVHGSA-N
XLogP1.65
TPSA104.31 Ų
H-Bond Donors1
H-Bond Acceptors7
Rotatable Bonds7
Heavy Atoms35
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500479.54
LogP ≤ 51.65
H-Bond Donors ≤ 51
H-Bond Acceptors ≤ 107

Analyze 6-[(3R)-3-[[6-(cyclopropylmethoxy)-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]-N,N,1-trimethyl-4-oxo-2,3-dihydroquinazoline-2-carboxamide with MolForge

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Related Compounds

2-[3-[(3R)-3-[[6-(cyclopropylmethoxy)-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]-5-oxo-7H-pyrrolo[3,4-b]pyridin-6-yl]-N,N-dimethylacetamide
CID 118418329
1-[5-[(3R)-3-[[6-(cyclopropylmethoxy)-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]-3-fluoro-2-pyridinyl]-N,N-dimethylazetidine-3-carboxamide
CID 139437081
2-[5-[3-[[6-(cyclopropylmethoxy)-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]-3-oxo-1H-isoindol-2-yl]-N-(2-hydroxyethyl)-N-methylacetamide
CID 123440471
2-[5-[(3R)-3-[[6-(cyclopropylmethoxy)-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]-7-fluoro-3-oxo-1H-isoindol-2-yl]-N,N-dimethylacetamide
CID 126482608
methyl 2-[5-[(3R)-3-[[6-(cyclopropylmethoxy)-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]-1-methyl-3-oxo-1H-isoindol-2-yl]acetate
CID 118418406
2-[5-[3-[[6-(cyclopropylmethoxy)-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]-7-fluoro-3-oxo-1,2-dihydroinden-1-yl]-N,N-dimethylacetamide
CID 123613875
(3R)-3-[[6-(cyclopropylmethoxy)-3-pyridinyl]oxy]-1-[7-fluoro-3-oxo-2-(2-oxopropyl)-1,2-dihydroinden-5-yl]pyrrolidin-2-one
CID 118427334
2-[5-[(3R)-3-[[6-(cyclopropylmethoxy)-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]-3-oxo-1H-isoindol-2-yl]acetic acid
CID 118418381
2-[5-[3-[[6-(cyclopropylmethoxy)-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]benzotriazol-2-yl]acetic acid
CID 123455305
methyl 1-[5-[3-[[6-(cyclopropylmethoxy)-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]pyrimidin-2-yl]azetidine-3-carboxylate
CID 135306598
N,N-dimethyl-2-[3-oxo-5-[2-oxo-3-[[6-(2,2,2-trifluoroethoxy)-3-pyridinyl]oxy]pyrrolidin-1-yl]-1H-isoindol-2-yl]acetamide
CID 123393220
2-[5-[3-[[6-(2-cyclopropylethoxy)-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]-3-oxo-1,2-dihydroinden-1-yl]acetic acid
CID 123278796

Frequently Asked Questions

What is the IUPAC name of 6-[(3R)-3-[[6-(cyclopropylmethoxy)-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]-N,N,1-trimethyl-4-oxo-2,3-dihydroquinazoline-2-carboxamide?
The IUPAC name of 6-[(3R)-3-[[6-(cyclopropylmethoxy)-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]-N,N,1-trimethyl-4-oxo-2,3-dihydroquinazoline-2-carboxamide (CID 118425755) is 6-[(3R)-3-[[6-(cyclopropylmethoxy)-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]-N,N,1-trimethyl-4-oxo-2,3-dihydroquinazoline-2-carboxamide.
What is the SMILES notation for 6-[(3R)-3-[[6-(cyclopropylmethoxy)-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]-N,N,1-trimethyl-4-oxo-2,3-dihydroquinazoline-2-carboxamide?
The canonical SMILES for 6-[(3R)-3-[[6-(cyclopropylmethoxy)-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]-N,N,1-trimethyl-4-oxo-2,3-dihydroquinazoline-2-carboxamide is CN(C)C(=O)C1NC(=O)c2cc(N3CC[C@@H](Oc4ccc(OCC5CC5)nc4)C3=O)ccc2N1C.
What is the InChIKey of 6-[(3R)-3-[[6-(cyclopropylmethoxy)-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]-N,N,1-trimethyl-4-oxo-2,3-dihydroquinazoline-2-carboxamide?
The InChIKey is DDHLWKZFVKFDJI-PSDZMVHGSA-N. The full InChI is InChI=1S/C25H29N5O5/c1-28(2)25(33)22-27-23(31)18-12-16(6-8-19(18)29(22)3)30-11-10-20(24(30)32)35-17-7-9-21(26-13-17)34-14-15-4-5-15/h6-9,12-13,15,20,22H,4-5,10-11,14H2,1-3H3,(H,27,31)/t20-,22?/m1/s1.
What are the key properties of 6-[(3R)-3-[[6-(cyclopropylmethoxy)-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]-N,N,1-trimethyl-4-oxo-2,3-dihydroquinazoline-2-carboxamide?
6-[(3R)-3-[[6-(cyclopropylmethoxy)-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]-N,N,1-trimethyl-4-oxo-2,3-dihydroquinazoline-2-carboxamide has a molecular weight of 479.54 g/mol, XLogP of 1.65, 7 rotatable bonds, 1 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 6-[(3R)-3-[[6-(cyclopropylmethoxy)-3-pyridinyl]oxy]-2-oxopyrrolidin-1-yl]-N,N,1-trimethyl-4-oxo-2,3-dihydroquinazoline-2-carboxamide is sourced from PubChem (CID 118425755), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).