2-amino-8-methoxy-N-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]quinazoline-4-carboxamide

C19H19N5O2 — CID 122444983

IUPAC2-amino-8-methoxy-N-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]quinazoline-4-carboxamide
SMILESCOc1cccc2c(C(=O)N[C@H]3CCCc4cccnc43)nc(N)nc12
InChIInChI=1S/C19H19N5O2/c1-26-14-9-3-7-12-16(14)23-19(20)24-17(12)18(25)22-13-8-2-5-11-6-4-10-21-15(11)13/h3-4,6-7,9-10,13H,2,5,8H2,1H3,(H,22,25)(H2,20,23,24)/t13-/m0/s1
InChIKeyNHKVTQFWIUYQBM-ZDUSSCGKSA-N
MW349.39 g/mol
LogP2.42
Rot. Bonds3

About 2-amino-8-methoxy-N-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]quinazoline-4-carboxamide

2-amino-8-methoxy-N-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]quinazoline-4-carboxamide (PubChem CID 122444983) has the molecular formula C19H19N5O2 and a molecular weight of 349.39 g/mol. Its IUPAC name is 2-amino-8-methoxy-N-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]quinazoline-4-carboxamide.

Molecular Properties

Compound Name2-amino-8-methoxy-N-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]quinazoline-4-carboxamide
PubChem CID122444983
Molecular FormulaC19H19N5O2
Molecular Weight349.39 g/mol
Exact Mass349.15
IUPAC Name2-amino-8-methoxy-N-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]quinazoline-4-carboxamide
SMILESCOc1cccc2c(C(=O)N[C@H]3CCCc4cccnc43)nc(N)nc12
InChIInChI=1S/C19H19N5O2/c1-26-14-9-3-7-12-16(14)23-19(20)24-17(12)18(25)22-13-8-2-5-11-6-4-10-21-15(11)13/h3-4,6-7,9-10,13H,2,5,8H2,1H3,(H,22,25)(H2,20,23,24)/t13-/m0/s1
InChIKeyNHKVTQFWIUYQBM-ZDUSSCGKSA-N
XLogP2.42
TPSA103.02 Ų
H-Bond Donors2
H-Bond Acceptors6
Rotatable Bonds3
Heavy Atoms26
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500349.39
LogP ≤ 52.42
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 106

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Frequently Asked Questions

What is the IUPAC name of 2-amino-8-methoxy-N-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]quinazoline-4-carboxamide?
The IUPAC name of 2-amino-8-methoxy-N-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]quinazoline-4-carboxamide (CID 122444983) is 2-amino-8-methoxy-N-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]quinazoline-4-carboxamide.
What is the SMILES notation for 2-amino-8-methoxy-N-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]quinazoline-4-carboxamide?
The canonical SMILES for 2-amino-8-methoxy-N-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]quinazoline-4-carboxamide is COc1cccc2c(C(=O)N[C@H]3CCCc4cccnc43)nc(N)nc12.
What is the InChIKey of 2-amino-8-methoxy-N-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]quinazoline-4-carboxamide?
The InChIKey is NHKVTQFWIUYQBM-ZDUSSCGKSA-N. The full InChI is InChI=1S/C19H19N5O2/c1-26-14-9-3-7-12-16(14)23-19(20)24-17(12)18(25)22-13-8-2-5-11-6-4-10-21-15(11)13/h3-4,6-7,9-10,13H,2,5,8H2,1H3,(H,22,25)(H2,20,23,24)/t13-/m0/s1.
What are the key properties of 2-amino-8-methoxy-N-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]quinazoline-4-carboxamide?
2-amino-8-methoxy-N-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]quinazoline-4-carboxamide has a molecular weight of 349.39 g/mol, XLogP of 2.42, 3 rotatable bonds, 2 hydrogen bond donors, and 6 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-8-methoxy-N-[(8S)-5,6,7,8-tetrahydroquinolin-8-yl]quinazoline-4-carboxamide is sourced from PubChem (CID 122444983), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).