(3R,4R)-4-amino-1-[[4-(3-methoxyanilino)quinazolin-6-yl]methyl]piperidin-3-ol

C21H25N5O2 — CID 58671535

IUPAC(3R,4R)-4-amino-1-[[4-(3-methoxyanilino)quinazolin-6-yl]methyl]piperidin-3-ol
SMILESCOc1cccc(Nc2ncnc3ccc(CN4CC[C@@H](N)[C@H](O)C4)cc23)c1
InChIInChI=1S/C21H25N5O2/c1-28-16-4-2-3-15(10-16)25-21-17-9-14(5-6-19(17)23-13-24-21)11-26-8-7-18(22)20(27)12-26/h2-6,9-10,13,18,20,27H,7-8,11-12,22H2,1H3,(H,23,24,25)/t18-,20-/m1/s1
InChIKeyRNYMAACHEAIPEY-UYAOXDASSA-N
MW379.46 g/mol
LogP2.28
Rot. Bonds5

About (3R,4R)-4-amino-1-[[4-(3-methoxyanilino)quinazolin-6-yl]methyl]piperidin-3-ol

(3R,4R)-4-amino-1-[[4-(3-methoxyanilino)quinazolin-6-yl]methyl]piperidin-3-ol (PubChem CID 58671535) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is (3R,4R)-4-amino-1-[[4-(3-methoxyanilino)quinazolin-6-yl]methyl]piperidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-4-amino-1-[[4-(3-methoxyanilino)quinazolin-6-yl]methyl]piperidin-3-ol
PubChem CID58671535
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC Name(3R,4R)-4-amino-1-[[4-(3-methoxyanilino)quinazolin-6-yl]methyl]piperidin-3-ol
SMILESCOc1cccc(Nc2ncnc3ccc(CN4CC[C@@H](N)[C@H](O)C4)cc23)c1
InChIInChI=1S/C21H25N5O2/c1-28-16-4-2-3-15(10-16)25-21-17-9-14(5-6-19(17)23-13-24-21)11-26-8-7-18(22)20(27)12-26/h2-6,9-10,13,18,20,27H,7-8,11-12,22H2,1H3,(H,23,24,25)/t18-,20-/m1/s1
InChIKeyRNYMAACHEAIPEY-UYAOXDASSA-N
XLogP2.28
TPSA96.53 Ų
H-Bond Donors3
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.28
H-Bond Donors ≤ 53
H-Bond Acceptors ≤ 107

Analyze (3R,4R)-4-amino-1-[[4-(3-methoxyanilino)quinazolin-6-yl]methyl]piperidin-3-ol with MolForge

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Related Compounds

6,7-dimethoxy-~{N}-[(1~{R})-1-phenylethyl]quinazolin-4-amine
CID 6926621
N-[(4-methoxyphenyl)methyl]quinazolin-4-amine
CID 5328015
ZM 323881 hydrochloride
CID 22624897
N-(3-methoxyphenyl)quinazolin-4-amine
CID 712193
N~2~-(3-methoxyphenyl)-N~4~-(tetrahydro-2-furanylmethyl)-2,4-quinazolinediamine hydrochloride
CID 2951909
N-benzyl-7-methoxyquinazolin-4-amine
CID 5328032
4-N-(3-methoxyphenyl)pyrido[4,3-d]pyrimidine-4,7-diamine
CID 5328061
7-methoxy-N-phenylquinazolin-4-amine
CID 5328190
N-(2-fluoro-4-methylphenyl)-6-methoxy-7-[(1-methylpiperidin-4-yl)methoxy]quinazolin-4-amine
CID 5329042
N-(2-fluoro-4-methylphenyl)-6-methoxy-7-(piperidin-4-ylmethoxy)quinazolin-4-amine
CID 5329049
6-methoxy-N-(3-methoxyphenyl)-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
CID 5330170
6-methoxy-N-(2-methoxyphenyl)-7-(3-morpholin-4-ylpropoxy)quinazolin-4-amine
CID 5330171

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-amino-1-[[4-(3-methoxyanilino)quinazolin-6-yl]methyl]piperidin-3-ol?
The IUPAC name of (3R,4R)-4-amino-1-[[4-(3-methoxyanilino)quinazolin-6-yl]methyl]piperidin-3-ol (CID 58671535) is (3R,4R)-4-amino-1-[[4-(3-methoxyanilino)quinazolin-6-yl]methyl]piperidin-3-ol.
What is the SMILES notation for (3R,4R)-4-amino-1-[[4-(3-methoxyanilino)quinazolin-6-yl]methyl]piperidin-3-ol?
The canonical SMILES for (3R,4R)-4-amino-1-[[4-(3-methoxyanilino)quinazolin-6-yl]methyl]piperidin-3-ol is COc1cccc(Nc2ncnc3ccc(CN4CC[C@@H](N)[C@H](O)C4)cc23)c1.
What is the InChIKey of (3R,4R)-4-amino-1-[[4-(3-methoxyanilino)quinazolin-6-yl]methyl]piperidin-3-ol?
The InChIKey is RNYMAACHEAIPEY-UYAOXDASSA-N. The full InChI is InChI=1S/C21H25N5O2/c1-28-16-4-2-3-15(10-16)25-21-17-9-14(5-6-19(17)23-13-24-21)11-26-8-7-18(22)20(27)12-26/h2-6,9-10,13,18,20,27H,7-8,11-12,22H2,1H3,(H,23,24,25)/t18-,20-/m1/s1.
What are the key properties of (3R,4R)-4-amino-1-[[4-(3-methoxyanilino)quinazolin-6-yl]methyl]piperidin-3-ol?
(3R,4R)-4-amino-1-[[4-(3-methoxyanilino)quinazolin-6-yl]methyl]piperidin-3-ol has a molecular weight of 379.46 g/mol, XLogP of 2.28, 5 rotatable bonds, 3 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-amino-1-[[4-(3-methoxyanilino)quinazolin-6-yl]methyl]piperidin-3-ol is sourced from PubChem (CID 58671535), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).