(3R,4R)-4-[amino-[4-(3-methoxyanilino)quinazolin-5-yl]methyl]piperidin-3-ol

C21H25N5O2 — CID 69377909

IUPAC(3R,4R)-4-[amino-[4-(3-methoxyanilino)quinazolin-5-yl]methyl]piperidin-3-ol
SMILESCOc1cccc(Nc2ncnc3cccc(C(N)[C@H]4CCNC[C@@H]4O)c23)c1
InChIInChI=1S/C21H25N5O2/c1-28-14-5-2-4-13(10-14)26-21-19-16(6-3-7-17(19)24-12-25-21)20(22)15-8-9-23-11-18(15)27/h2-7,10,12,15,18,20,23,27H,8-9,11,22H2,1H3,(H,24,25,26)/t15-,18-,20?/m0/s1
InChIKeyZCDKRITVJDTTOO-JBJJAQNESA-N
MW379.46 g/mol
LogP2.35
Rot. Bonds5

About (3R,4R)-4-[amino-[4-(3-methoxyanilino)quinazolin-5-yl]methyl]piperidin-3-ol

(3R,4R)-4-[amino-[4-(3-methoxyanilino)quinazolin-5-yl]methyl]piperidin-3-ol (PubChem CID 69377909) has the molecular formula C21H25N5O2 and a molecular weight of 379.46 g/mol. Its IUPAC name is (3R,4R)-4-[amino-[4-(3-methoxyanilino)quinazolin-5-yl]methyl]piperidin-3-ol.

Molecular Properties

Compound Name(3R,4R)-4-[amino-[4-(3-methoxyanilino)quinazolin-5-yl]methyl]piperidin-3-ol
PubChem CID69377909
Molecular FormulaC21H25N5O2
Molecular Weight379.46 g/mol
Exact Mass379.20
IUPAC Name(3R,4R)-4-[amino-[4-(3-methoxyanilino)quinazolin-5-yl]methyl]piperidin-3-ol
SMILESCOc1cccc(Nc2ncnc3cccc(C(N)[C@H]4CCNC[C@@H]4O)c23)c1
InChIInChI=1S/C21H25N5O2/c1-28-14-5-2-4-13(10-14)26-21-19-16(6-3-7-17(19)24-12-25-21)20(22)15-8-9-23-11-18(15)27/h2-7,10,12,15,18,20,23,27H,8-9,11,22H2,1H3,(H,24,25,26)/t15-,18-,20?/m0/s1
InChIKeyZCDKRITVJDTTOO-JBJJAQNESA-N
XLogP2.35
TPSA105.32 Ų
H-Bond Donors4
H-Bond Acceptors7
Rotatable Bonds5
Heavy Atoms28
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500379.46
LogP ≤ 52.35
H-Bond Donors ≤ 54
H-Bond Acceptors ≤ 107

Analyze (3R,4R)-4-[amino-[4-(3-methoxyanilino)quinazolin-5-yl]methyl]piperidin-3-ol with MolForge

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Related Compounds

5-fluoro-N-(3-methoxyphenyl)quinazolin-4-amine
CID 141103872
[(4R)-4-amino-1-[[4-(3-methoxyanilino)quinazolin-5-yl]methyl]piperidine-3-carbonyl]azanium
CID 143303213
7-methoxy-N-(3-methoxyphenyl)quinazolin-4-amine
CID 21003078
4-N-(3-methoxyphenyl)-6-(4-methylpiperidin-1-yl)pyrimidine-4,5-diamine
CID 22543846
6-N-cyclopropyl-4-N-(3-methoxyphenyl)pyrimido[5,4-d]pyrimidine-4,6-diamine
CID 19709115
5-ethoxy-N-(3-methoxyphenyl)-2,3-dihydro-[1,4]dioxino[2,3-f]quinazolin-10-amine
CID 122417781
6-bromo-N-(3-methoxyphenyl)quinazolin-4-amine
CID 709498
6-chloro-4-N-(3-methoxyphenyl)pyrimidine-4,5-diamine
CID 11694491
6-N-(4-ethoxyphenyl)-4-N-(3-methoxyphenyl)pyrimidine-4,5,6-triamine
CID 22543912
6-N-(3-methoxyphenyl)-4-N,4-N-dimethylpyrimidine-4,5,6-triamine
CID 22543827
methyl 4-[[5-amino-6-(3-methoxyanilino)pyrimidin-4-yl]amino]benzoate
CID 22543914
(2S)-2-chloro-1-[4-(3-methoxyanilino)quinazolin-6-yl]propan-1-one
CID 169450910

Frequently Asked Questions

What is the IUPAC name of (3R,4R)-4-[amino-[4-(3-methoxyanilino)quinazolin-5-yl]methyl]piperidin-3-ol?
The IUPAC name of (3R,4R)-4-[amino-[4-(3-methoxyanilino)quinazolin-5-yl]methyl]piperidin-3-ol (CID 69377909) is (3R,4R)-4-[amino-[4-(3-methoxyanilino)quinazolin-5-yl]methyl]piperidin-3-ol.
What is the SMILES notation for (3R,4R)-4-[amino-[4-(3-methoxyanilino)quinazolin-5-yl]methyl]piperidin-3-ol?
The canonical SMILES for (3R,4R)-4-[amino-[4-(3-methoxyanilino)quinazolin-5-yl]methyl]piperidin-3-ol is COc1cccc(Nc2ncnc3cccc(C(N)[C@H]4CCNC[C@@H]4O)c23)c1.
What is the InChIKey of (3R,4R)-4-[amino-[4-(3-methoxyanilino)quinazolin-5-yl]methyl]piperidin-3-ol?
The InChIKey is ZCDKRITVJDTTOO-JBJJAQNESA-N. The full InChI is InChI=1S/C21H25N5O2/c1-28-14-5-2-4-13(10-14)26-21-19-16(6-3-7-17(19)24-12-25-21)20(22)15-8-9-23-11-18(15)27/h2-7,10,12,15,18,20,23,27H,8-9,11,22H2,1H3,(H,24,25,26)/t15-,18-,20?/m0/s1.
What are the key properties of (3R,4R)-4-[amino-[4-(3-methoxyanilino)quinazolin-5-yl]methyl]piperidin-3-ol?
(3R,4R)-4-[amino-[4-(3-methoxyanilino)quinazolin-5-yl]methyl]piperidin-3-ol has a molecular weight of 379.46 g/mol, XLogP of 2.35, 5 rotatable bonds, 4 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for (3R,4R)-4-[amino-[4-(3-methoxyanilino)quinazolin-5-yl]methyl]piperidin-3-ol is sourced from PubChem (CID 69377909), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).