(4-aminoquinazolin-7-yl)-[(3S,4S)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]methanone

C15H19N5O2 — CID 154746243

IUPAC(4-aminoquinazolin-7-yl)-[(3S,4S)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]methanone
SMILESCN(C)[C@H]1CN(C(=O)c2ccc3c(N)ncnc3c2)C[C@@H]1O
InChIInChI=1S/C15H19N5O2/c1-19(2)12-6-20(7-13(12)21)15(22)9-3-4-10-11(5-9)17-8-18-14(10)16/h3-5,8,12-13,21H,6-7H2,1-2H3,(H2,16,17,18)/t12-,13-/m0/s1
InChIKeyNDUFOAJHHKSODK-STQMWFEESA-N
MW301.35 g/mol
LogP-0.04
Rot. Bonds2

About (4-aminoquinazolin-7-yl)-[(3S,4S)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]methanone

(4-aminoquinazolin-7-yl)-[(3S,4S)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]methanone (PubChem CID 154746243) has the molecular formula C15H19N5O2 and a molecular weight of 301.35 g/mol. Its IUPAC name is (4-aminoquinazolin-7-yl)-[(3S,4S)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]methanone.

Molecular Properties

Compound Name(4-aminoquinazolin-7-yl)-[(3S,4S)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]methanone
PubChem CID154746243
Molecular FormulaC15H19N5O2
Molecular Weight301.35 g/mol
Exact Mass301.15
IUPAC Name(4-aminoquinazolin-7-yl)-[(3S,4S)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]methanone
SMILESCN(C)[C@H]1CN(C(=O)c2ccc3c(N)ncnc3c2)C[C@@H]1O
InChIInChI=1S/C15H19N5O2/c1-19(2)12-6-20(7-13(12)21)15(22)9-3-4-10-11(5-9)17-8-18-14(10)16/h3-5,8,12-13,21H,6-7H2,1-2H3,(H2,16,17,18)/t12-,13-/m0/s1
InChIKeyNDUFOAJHHKSODK-STQMWFEESA-N
XLogP-0.04
TPSA95.58 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds2
Heavy Atoms22
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500301.35
LogP ≤ 5-0.04
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Related Compounds

[(3R,4R)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-(2-pyrrolidin-1-yl-4-pyridinyl)methanone
CID 110108021
(4-aminoquinazolin-7-yl)-(3-ethyl-3-phenylazetidin-1-yl)methanone
CID 167882908
[(3R,4R)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-(4-methoxyphenyl)methanone
CID 110107932
[(3R,4R)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-[4-(trifluoromethyl)phenyl]methanone
CID 110107956
[(3R,4R)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-[3-(1,2,4-triazol-4-yl)phenyl]methanone
CID 110108008
(4-aminoquinazolin-7-yl)-[3-(3-bromo-5-hydroxyphenyl)pyrrolidin-1-yl]methanone
CID 166398427
(4-chlorophenyl)-[(3R,4R)-3-[2-[(6,7-difluoroquinazolin-4-yl)-methylamino]ethyl-ethylamino]-4-hydroxypyrrolidin-1-yl]methanone
CID 70851063
[3,5-bis(trifluoromethyl)phenyl]-[(3S,4S)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]methanone
CID 91774461
[3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-[3-[3-(dimethylamino)phenyl]phenyl]methanone
CID 156608777
[(3R,4R)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]-quinolin-5-ylmethanone
CID 110107959
[(3S,4R)-3-(dimethylamino)-4-propan-2-ylpyrrolidin-1-yl]-quinolin-6-ylmethanone
CID 72900733
4-amino-N-(1-ethyl-2-methylpiperidin-4-yl)-N-methylquinazoline-7-carboxamide
CID 155952674

Frequently Asked Questions

What is the IUPAC name of (4-aminoquinazolin-7-yl)-[(3S,4S)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]methanone?
The IUPAC name of (4-aminoquinazolin-7-yl)-[(3S,4S)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]methanone (CID 154746243) is (4-aminoquinazolin-7-yl)-[(3S,4S)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]methanone.
What is the SMILES notation for (4-aminoquinazolin-7-yl)-[(3S,4S)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]methanone?
The canonical SMILES for (4-aminoquinazolin-7-yl)-[(3S,4S)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]methanone is CN(C)[C@H]1CN(C(=O)c2ccc3c(N)ncnc3c2)C[C@@H]1O.
What is the InChIKey of (4-aminoquinazolin-7-yl)-[(3S,4S)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]methanone?
The InChIKey is NDUFOAJHHKSODK-STQMWFEESA-N. The full InChI is InChI=1S/C15H19N5O2/c1-19(2)12-6-20(7-13(12)21)15(22)9-3-4-10-11(5-9)17-8-18-14(10)16/h3-5,8,12-13,21H,6-7H2,1-2H3,(H2,16,17,18)/t12-,13-/m0/s1.
What are the key properties of (4-aminoquinazolin-7-yl)-[(3S,4S)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]methanone?
(4-aminoquinazolin-7-yl)-[(3S,4S)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]methanone has a molecular weight of 301.35 g/mol, XLogP of -0.04, 2 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for (4-aminoquinazolin-7-yl)-[(3S,4S)-3-(dimethylamino)-4-hydroxypyrrolidin-1-yl]methanone is sourced from PubChem (CID 154746243), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).