3-[[(5aR,8R,9aR)-2-amino-6-propyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinazolin-8-yl]methyl]-1-methyl-1-(2-pyridin-3-ylethyl)urea

C24H35N7O — CID 144644541

IUPAC3-[[(5aR,8R,9aR)-2-amino-6-propyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinazolin-8-yl]methyl]-1-methyl-1-(2-pyridin-3-ylethyl)urea
SMILESCCCN1C[C@@H](CNC(=O)N(C)CCc2cccnc2)C[C@@H]2Cc3nc(N)ncc3C[C@H]21
InChIInChI=1S/C24H35N7O/c1-3-8-31-16-18(10-19-11-21-20(12-22(19)31)15-27-23(25)29-21)14-28-24(32)30(2)9-6-17-5-4-7-26-13-17/h4-5,7,13,15,18-19,22H,3,6,8-12,14,16H2,1-2H3,(H,28,32)(H2,25,27,29)/t18-,19-,22-/m1/s1
InChIKeyKIGHSNSTPKYZOW-WOIUINJBSA-N
MW437.59 g/mol
LogP2.15
Rot. Bonds7

About 3-[[(5aR,8R,9aR)-2-amino-6-propyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinazolin-8-yl]methyl]-1-methyl-1-(2-pyridin-3-ylethyl)urea

3-[[(5aR,8R,9aR)-2-amino-6-propyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinazolin-8-yl]methyl]-1-methyl-1-(2-pyridin-3-ylethyl)urea (PubChem CID 144644541) has the molecular formula C24H35N7O and a molecular weight of 437.59 g/mol. Its IUPAC name is 3-[[(5aR,8R,9aR)-2-amino-6-propyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinazolin-8-yl]methyl]-1-methyl-1-(2-pyridin-3-ylethyl)urea.

Molecular Properties

Compound Name3-[[(5aR,8R,9aR)-2-amino-6-propyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinazolin-8-yl]methyl]-1-methyl-1-(2-pyridin-3-ylethyl)urea
PubChem CID144644541
Molecular FormulaC24H35N7O
Molecular Weight437.59 g/mol
Exact Mass437.29
IUPAC Name3-[[(5aR,8R,9aR)-2-amino-6-propyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinazolin-8-yl]methyl]-1-methyl-1-(2-pyridin-3-ylethyl)urea
SMILESCCCN1C[C@@H](CNC(=O)N(C)CCc2cccnc2)C[C@@H]2Cc3nc(N)ncc3C[C@H]21
InChIInChI=1S/C24H35N7O/c1-3-8-31-16-18(10-19-11-21-20(12-22(19)31)15-27-23(25)29-21)14-28-24(32)30(2)9-6-17-5-4-7-26-13-17/h4-5,7,13,15,18-19,22H,3,6,8-12,14,16H2,1-2H3,(H,28,32)(H2,25,27,29)/t18-,19-,22-/m1/s1
InChIKeyKIGHSNSTPKYZOW-WOIUINJBSA-N
XLogP2.15
TPSA100.27 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds7
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500437.59
LogP ≤ 52.15
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

Analyze 3-[[(5aR,8R,9aR)-2-amino-6-propyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinazolin-8-yl]methyl]-1-methyl-1-(2-pyridin-3-ylethyl)urea with MolForge

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Launch Full Analysis

Related Compounds

3-[(8S,9aR)-2-amino-6-propyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinazolin-8-yl]-1-[4-(dimethylamino)butyl]-1-ethylurea
CID 144644539
3-[(5aR,9aR)-2-amino-6-propyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinazolin-8-yl]-1-ethyl-1-[2-[3-methoxypropyl(methyl)amino]ethyl]urea
CID 144644441
3-(2-amino-6-prop-2-enyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinazolin-8-yl)-1-[2-(dimethylamino)ethyl]-1-ethylurea
CID 118430777
3-[(1,4-dimethylpiperazin-2-yl)methyl]-1-(2-phenylethyl)-1-(pyridin-3-ylmethyl)urea
CID 131917921
3-[(1-ethylpiperidin-3-yl)methyl]-1-(2-phenylethyl)-1-(pyridin-3-ylmethyl)urea
CID 121499552
(5aS,9aS)-6-methyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinazolin-2-amine
CID 18596266
3-(2-amino-5,5a,6,7,8,9,9a,10-octahydropyrido[2,3-g]quinazolin-8-yl)-1-[2-(dimethylamino)ethyl]-1-ethylurea
CID 118430754
2-(ethylamino)-N-methyl-N-(2-pyridin-3-ylethyl)acetamide
CID 115158126
N-[(1-ethylsulfonylpiperidin-4-yl)methyl]-3-pyridin-3-ylpropanamide
CID 131942617
1-methyl-1-[(2-methyl-1,3-thiazol-4-yl)methyl]-3-(2-pyridin-3-ylethyl)urea
CID 86855084
1-methyl-3-propyl-1-(pyridin-3-ylmethyl)urea
CID 78786415
(3S)-8-methyl-2-propyl-N-(2-pyridin-3-ylethyl)-2,8-diazaspiro[4.5]decane-3-carboxamide
CID 95895228

Frequently Asked Questions

What is the IUPAC name of 3-[[(5aR,8R,9aR)-2-amino-6-propyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinazolin-8-yl]methyl]-1-methyl-1-(2-pyridin-3-ylethyl)urea?
The IUPAC name of 3-[[(5aR,8R,9aR)-2-amino-6-propyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinazolin-8-yl]methyl]-1-methyl-1-(2-pyridin-3-ylethyl)urea (CID 144644541) is 3-[[(5aR,8R,9aR)-2-amino-6-propyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinazolin-8-yl]methyl]-1-methyl-1-(2-pyridin-3-ylethyl)urea.
What is the SMILES notation for 3-[[(5aR,8R,9aR)-2-amino-6-propyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinazolin-8-yl]methyl]-1-methyl-1-(2-pyridin-3-ylethyl)urea?
The canonical SMILES for 3-[[(5aR,8R,9aR)-2-amino-6-propyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinazolin-8-yl]methyl]-1-methyl-1-(2-pyridin-3-ylethyl)urea is CCCN1C[C@@H](CNC(=O)N(C)CCc2cccnc2)C[C@@H]2Cc3nc(N)ncc3C[C@H]21.
What is the InChIKey of 3-[[(5aR,8R,9aR)-2-amino-6-propyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinazolin-8-yl]methyl]-1-methyl-1-(2-pyridin-3-ylethyl)urea?
The InChIKey is KIGHSNSTPKYZOW-WOIUINJBSA-N. The full InChI is InChI=1S/C24H35N7O/c1-3-8-31-16-18(10-19-11-21-20(12-22(19)31)15-27-23(25)29-21)14-28-24(32)30(2)9-6-17-5-4-7-26-13-17/h4-5,7,13,15,18-19,22H,3,6,8-12,14,16H2,1-2H3,(H,28,32)(H2,25,27,29)/t18-,19-,22-/m1/s1.
What are the key properties of 3-[[(5aR,8R,9aR)-2-amino-6-propyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinazolin-8-yl]methyl]-1-methyl-1-(2-pyridin-3-ylethyl)urea?
3-[[(5aR,8R,9aR)-2-amino-6-propyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinazolin-8-yl]methyl]-1-methyl-1-(2-pyridin-3-ylethyl)urea has a molecular weight of 437.59 g/mol, XLogP of 2.15, 7 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 3-[[(5aR,8R,9aR)-2-amino-6-propyl-5a,7,8,9,9a,10-hexahydro-5H-pyrido[2,3-g]quinazolin-8-yl]methyl]-1-methyl-1-(2-pyridin-3-ylethyl)urea is sourced from PubChem (CID 144644541), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).