3-amino-N-[(1S)-1-[3-(3-aminopropyl)-5-chloro-4-oxoquinazolin-2-yl]ethyl]pyrazine-2-carboxamide

C18H20ClN7O2 — CID 118573646

IUPAC3-amino-N-[(1S)-1-[3-(3-aminopropyl)-5-chloro-4-oxoquinazolin-2-yl]ethyl]pyrazine-2-carboxamide
SMILESC[C@H](NC(=O)c1nccnc1N)c1nc2cccc(Cl)c2c(=O)n1CCCN
InChIInChI=1S/C18H20ClN7O2/c1-10(24-17(27)14-15(21)23-8-7-22-14)16-25-12-5-2-4-11(19)13(12)18(28)26(16)9-3-6-20/h2,4-5,7-8,10H,3,6,9,20H2,1H3,(H2,21,23)(H,24,27)/t10-/m0/s1
InChIKeyKZSCZABEWCBAQV-JTQLQIEISA-N
MW401.86 g/mol
LogP1.26
Rot. Bonds6

About 3-amino-N-[(1S)-1-[3-(3-aminopropyl)-5-chloro-4-oxoquinazolin-2-yl]ethyl]pyrazine-2-carboxamide

3-amino-N-[(1S)-1-[3-(3-aminopropyl)-5-chloro-4-oxoquinazolin-2-yl]ethyl]pyrazine-2-carboxamide (PubChem CID 118573646) has the molecular formula C18H20ClN7O2 and a molecular weight of 401.86 g/mol. Its IUPAC name is 3-amino-N-[(1S)-1-[3-(3-aminopropyl)-5-chloro-4-oxoquinazolin-2-yl]ethyl]pyrazine-2-carboxamide.

Molecular Properties

Compound Name3-amino-N-[(1S)-1-[3-(3-aminopropyl)-5-chloro-4-oxoquinazolin-2-yl]ethyl]pyrazine-2-carboxamide
PubChem CID118573646
Molecular FormulaC18H20ClN7O2
Molecular Weight401.86 g/mol
Exact Mass401.14
IUPAC Name3-amino-N-[(1S)-1-[3-(3-aminopropyl)-5-chloro-4-oxoquinazolin-2-yl]ethyl]pyrazine-2-carboxamide
SMILESC[C@H](NC(=O)c1nccnc1N)c1nc2cccc(Cl)c2c(=O)n1CCCN
InChIInChI=1S/C18H20ClN7O2/c1-10(24-17(27)14-15(21)23-8-7-22-14)16-25-12-5-2-4-11(19)13(12)18(28)26(16)9-3-6-20/h2,4-5,7-8,10H,3,6,9,20H2,1H3,(H2,21,23)(H,24,27)/t10-/m0/s1
InChIKeyKZSCZABEWCBAQV-JTQLQIEISA-N
XLogP1.26
TPSA141.81 Ų
H-Bond Donors3
H-Bond Acceptors8
Rotatable Bonds6
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500401.86
LogP ≤ 51.26
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 108

Analyze 3-amino-N-[(1S)-1-[3-(3-aminopropyl)-5-chloro-4-oxoquinazolin-2-yl]ethyl]pyrazine-2-carboxamide with MolForge

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Related Compounds

2-[1-[(6-amino-5-chloropyrimidin-4-yl)amino]ethyl]-3-(3-aminopropyl)-5-chloroquinazolin-4-one
CID 118573832
tert-butyl N-[3-[5-chloro-2-[(1S)-1-[(3,5-diamino-6-bromopyrazine-2-carbonyl)amino]ethyl]-4-oxoquinazolin-3-yl]propyl]carbamate
CID 118584118
2,4-diamino-6-[[(1R)-1-[3-(3-aminopropyl)-5-chloro-4-oxoquinazolin-2-yl]ethyl]amino]pyrimidine-5-carbonitrile
CID 118573963
2-[(2R)-4-(3-aminopyrazin-2-yl)-4-oxobutan-2-yl]-5-chloro-3-phenylquinazolin-4-one
CID 145017894
3-[5-chloro-2-[1-[(2,6-diamino-5-chloropyrimidin-4-yl)amino]ethyl]-4-oxoquinazolin-3-yl]propylcarbamic acid
CID 118574265
2,4-diamino-6-[[(1S)-1-[3-(3-aminopropyl)-5-chloro-4-oxoquinazolin-2-yl]propyl]amino]pyrimidine-5-carbonitrile
CID 118573718
4-[5-chloro-2-[1-(9H-fluoren-9-ylmethoxycarbonylamino)ethyl]-4-oxoquinazolin-3-yl]butylcarbamic acid
CID 118573671
tert-butyl N-[(1S)-1-[5-chloro-3-[2-(dimethylamino)ethyl]-4-oxoquinazolin-2-yl]ethyl]carbamate
CID 154441345
2,4-diamino-6-[1-[5-chloro-3-(3-cyanopropyl)-4-oxoquinazolin-2-yl]ethylamino]pyrimidine-5-carbonitrile
CID 118573804
2,4-diamino-6-[1-[5-chloro-4-oxo-3-[3-(pyrimidin-2-ylamino)propyl]quinazolin-2-yl]ethylamino]pyrimidine-5-carbonitrile
CID 118573746
3-[2-(1-aminoethyl)-5-chloro-4-oxoquinazolin-3-yl]-N,N-dimethylpropanamide
CID 118574062
4-amino-6-[1-[3-(3-aminopropyl)-5-methyl-4-oxoquinazolin-2-yl]ethylamino]pyrimidine-5-carbonitrile
CID 118573769

Frequently Asked Questions

What is the IUPAC name of 3-amino-N-[(1S)-1-[3-(3-aminopropyl)-5-chloro-4-oxoquinazolin-2-yl]ethyl]pyrazine-2-carboxamide?
The IUPAC name of 3-amino-N-[(1S)-1-[3-(3-aminopropyl)-5-chloro-4-oxoquinazolin-2-yl]ethyl]pyrazine-2-carboxamide (CID 118573646) is 3-amino-N-[(1S)-1-[3-(3-aminopropyl)-5-chloro-4-oxoquinazolin-2-yl]ethyl]pyrazine-2-carboxamide.
What is the SMILES notation for 3-amino-N-[(1S)-1-[3-(3-aminopropyl)-5-chloro-4-oxoquinazolin-2-yl]ethyl]pyrazine-2-carboxamide?
The canonical SMILES for 3-amino-N-[(1S)-1-[3-(3-aminopropyl)-5-chloro-4-oxoquinazolin-2-yl]ethyl]pyrazine-2-carboxamide is C[C@H](NC(=O)c1nccnc1N)c1nc2cccc(Cl)c2c(=O)n1CCCN.
What is the InChIKey of 3-amino-N-[(1S)-1-[3-(3-aminopropyl)-5-chloro-4-oxoquinazolin-2-yl]ethyl]pyrazine-2-carboxamide?
The InChIKey is KZSCZABEWCBAQV-JTQLQIEISA-N. The full InChI is InChI=1S/C18H20ClN7O2/c1-10(24-17(27)14-15(21)23-8-7-22-14)16-25-12-5-2-4-11(19)13(12)18(28)26(16)9-3-6-20/h2,4-5,7-8,10H,3,6,9,20H2,1H3,(H2,21,23)(H,24,27)/t10-/m0/s1.
What are the key properties of 3-amino-N-[(1S)-1-[3-(3-aminopropyl)-5-chloro-4-oxoquinazolin-2-yl]ethyl]pyrazine-2-carboxamide?
3-amino-N-[(1S)-1-[3-(3-aminopropyl)-5-chloro-4-oxoquinazolin-2-yl]ethyl]pyrazine-2-carboxamide has a molecular weight of 401.86 g/mol, XLogP of 1.26, 6 rotatable bonds, 3 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for 3-amino-N-[(1S)-1-[3-(3-aminopropyl)-5-chloro-4-oxoquinazolin-2-yl]ethyl]pyrazine-2-carboxamide is sourced from PubChem (CID 118573646), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).