N-[2-hydroxy-3-(3-methoxyphenoxy)propyl]-2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazoline-4-carboxamide

C23H30N4O4 — CID 45202899

IUPACN-[2-hydroxy-3-(3-methoxyphenoxy)propyl]-2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazoline-4-carboxamide
SMILESCOc1cccc(OCC(O)CNC(=O)c2nc(N3CCCC3)nc3c2CCCC3)c1
InChIInChI=1S/C23H30N4O4/c1-30-17-7-6-8-18(13-17)31-15-16(28)14-24-22(29)21-19-9-2-3-10-20(19)25-23(26-21)27-11-4-5-12-27/h6-8,13,16,28H,2-5,9-12,14-15H2,1H3,(H,24,29)
InChIKeyPABWQIZLZNFKLA-UHFFFAOYSA-N
MW426.52 g/mol
LogP2.13
Rot. Bonds8

About N-[2-hydroxy-3-(3-methoxyphenoxy)propyl]-2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazoline-4-carboxamide

N-[2-hydroxy-3-(3-methoxyphenoxy)propyl]-2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazoline-4-carboxamide (PubChem CID 45202899) has the molecular formula C23H30N4O4 and a molecular weight of 426.52 g/mol. Its IUPAC name is N-[2-hydroxy-3-(3-methoxyphenoxy)propyl]-2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazoline-4-carboxamide.

Molecular Properties

Compound NameN-[2-hydroxy-3-(3-methoxyphenoxy)propyl]-2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazoline-4-carboxamide
PubChem CID45202899
Molecular FormulaC23H30N4O4
Molecular Weight426.52 g/mol
Exact Mass426.23
IUPAC NameN-[2-hydroxy-3-(3-methoxyphenoxy)propyl]-2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazoline-4-carboxamide
SMILESCOc1cccc(OCC(O)CNC(=O)c2nc(N3CCCC3)nc3c2CCCC3)c1
InChIInChI=1S/C23H30N4O4/c1-30-17-7-6-8-18(13-17)31-15-16(28)14-24-22(29)21-19-9-2-3-10-20(19)25-23(26-21)27-11-4-5-12-27/h6-8,13,16,28H,2-5,9-12,14-15H2,1H3,(H,24,29)
InChIKeyPABWQIZLZNFKLA-UHFFFAOYSA-N
XLogP2.13
TPSA96.81 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds8
Heavy Atoms31
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500426.52
LogP ≤ 52.13
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

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Related Compounds

1-cyclohexyl-3-[(2S)-2-hydroxy-3-(3-methoxyphenoxy)propyl]urea
CID 126437318
N-[2-hydroxy-3-(3-methoxyphenoxy)propyl]-3-(2-phenylethyl)-1,2-oxazole-5-carboxamide
CID 45238522
1-(3-methoxyphenoxy)-3-pyrrolidin-1-ylpropan-2-ol;hydrochloride
CID 2892284
2-[[2-hydroxy-3-(4-methoxyphenoxy)propyl]carbamoyl]benzoic acid
CID 2812098
N-cyclopentyl-4-[4-[[(2R)-2-hydroxy-3-(3-methoxyphenoxy)propyl]amino]piperidin-1-yl]benzamide
CID 42480876
N-[2-hydroxy-3-(3-methoxyphenoxy)propyl]-1-(naphthalen-1-ylmethyl)triazole-4-carboxamide
CID 45204441
1-(3-methoxyphenoxy)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-ol
CID 5150847
1-(3-methoxyphenoxy)-3-(4-pyrimidin-2-ylpiperazin-1-yl)propan-2-ol chloride
CID 53347090
3-methoxy-N-[(2-pyrrolidin-1-ylpyrimidin-4-yl)methyl]benzamide
CID 91967105
(5S)-2-(furan-3-carbonylamino)-N-[(2R)-2-hydroxy-3-(3-methoxyphenoxy)propyl]-7-oxo-5,6-dihydro-4H-1,3-benzothiazole-5-carboxamide
CID 42434641
N-[(2S)-2-hydroxy-3-pyrrolidin-1-ylpropyl]-3-(3-methoxyphenyl)benzamide
CID 125171289
N-[(2R)-2-hydroxy-3-(3-methoxyphenoxy)propyl]-3,5-dimethyl-1-benzofuran-2-carboxamide
CID 25464874

Frequently Asked Questions

What is the IUPAC name of N-[2-hydroxy-3-(3-methoxyphenoxy)propyl]-2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazoline-4-carboxamide?
The IUPAC name of N-[2-hydroxy-3-(3-methoxyphenoxy)propyl]-2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazoline-4-carboxamide (CID 45202899) is N-[2-hydroxy-3-(3-methoxyphenoxy)propyl]-2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazoline-4-carboxamide.
What is the SMILES notation for N-[2-hydroxy-3-(3-methoxyphenoxy)propyl]-2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazoline-4-carboxamide?
The canonical SMILES for N-[2-hydroxy-3-(3-methoxyphenoxy)propyl]-2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazoline-4-carboxamide is COc1cccc(OCC(O)CNC(=O)c2nc(N3CCCC3)nc3c2CCCC3)c1.
What is the InChIKey of N-[2-hydroxy-3-(3-methoxyphenoxy)propyl]-2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazoline-4-carboxamide?
The InChIKey is PABWQIZLZNFKLA-UHFFFAOYSA-N. The full InChI is InChI=1S/C23H30N4O4/c1-30-17-7-6-8-18(13-17)31-15-16(28)14-24-22(29)21-19-9-2-3-10-20(19)25-23(26-21)27-11-4-5-12-27/h6-8,13,16,28H,2-5,9-12,14-15H2,1H3,(H,24,29).
What are the key properties of N-[2-hydroxy-3-(3-methoxyphenoxy)propyl]-2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazoline-4-carboxamide?
N-[2-hydroxy-3-(3-methoxyphenoxy)propyl]-2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazoline-4-carboxamide has a molecular weight of 426.52 g/mol, XLogP of 2.13, 8 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for N-[2-hydroxy-3-(3-methoxyphenoxy)propyl]-2-pyrrolidin-1-yl-5,6,7,8-tetrahydroquinazoline-4-carboxamide is sourced from PubChem (CID 45202899), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).