N-(1-benzylpiperidin-4-yl)-7-[[1-[2-(quinolin-4-ylamino)ethyl]piperidin-4-yl]methoxy]quinazolin-4-amine

C37H43N7O — CID 122469657

IUPACN-(1-benzylpiperidin-4-yl)-7-[[1-[2-(quinolin-4-ylamino)ethyl]piperidin-4-yl]methoxy]quinazolin-4-amine
SMILESc1ccc(CN2CCC(Nc3ncnc4cc(OCC5CCN(CCNc6ccnc7ccccc67)CC5)ccc34)CC2)cc1
InChIInChI=1S/C37H43N7O/c1-2-6-28(7-3-1)25-44-21-15-30(16-22-44)42-37-33-11-10-31(24-36(33)40-27-41-37)45-26-29-13-19-43(20-14-29)23-18-39-35-12-17-38-34-9-5-4-8-32(34)35/h1-12,17,24,27,29-30H,13-16,18-23,25-26H2,(H,38,39)(H,40,41,42)
InChIKeyHPJCGZDRGSNCRL-UHFFFAOYSA-N
MW601.80 g/mol
LogP6.46
Rot. Bonds11

About N-(1-benzylpiperidin-4-yl)-7-[[1-[2-(quinolin-4-ylamino)ethyl]piperidin-4-yl]methoxy]quinazolin-4-amine

N-(1-benzylpiperidin-4-yl)-7-[[1-[2-(quinolin-4-ylamino)ethyl]piperidin-4-yl]methoxy]quinazolin-4-amine (PubChem CID 122469657) has the molecular formula C37H43N7O and a molecular weight of 601.80 g/mol. Its IUPAC name is N-(1-benzylpiperidin-4-yl)-7-[[1-[2-(quinolin-4-ylamino)ethyl]piperidin-4-yl]methoxy]quinazolin-4-amine.

Molecular Properties

Compound NameN-(1-benzylpiperidin-4-yl)-7-[[1-[2-(quinolin-4-ylamino)ethyl]piperidin-4-yl]methoxy]quinazolin-4-amine
PubChem CID122469657
Molecular FormulaC37H43N7O
Molecular Weight601.80 g/mol
Exact Mass601.35
IUPAC NameN-(1-benzylpiperidin-4-yl)-7-[[1-[2-(quinolin-4-ylamino)ethyl]piperidin-4-yl]methoxy]quinazolin-4-amine
SMILESc1ccc(CN2CCC(Nc3ncnc4cc(OCC5CCN(CCNc6ccnc7ccccc67)CC5)ccc34)CC2)cc1
InChIInChI=1S/C37H43N7O/c1-2-6-28(7-3-1)25-44-21-15-30(16-22-44)42-37-33-11-10-31(24-36(33)40-27-41-37)45-26-29-13-19-43(20-14-29)23-18-39-35-12-17-38-34-9-5-4-8-32(34)35/h1-12,17,24,27,29-30H,13-16,18-23,25-26H2,(H,38,39)(H,40,41,42)
InChIKeyHPJCGZDRGSNCRL-UHFFFAOYSA-N
XLogP6.46
TPSA78.44 Ų
H-Bond Donors2
H-Bond Acceptors8
Rotatable Bonds11
Heavy Atoms45
Complexity—

Lipinski Rule of Five

2 violations

RuleValue
MW ≤ 500601.80
LogP ≤ 56.46
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 108

Analyze N-(1-benzylpiperidin-4-yl)-7-[[1-[2-(quinolin-4-ylamino)ethyl]piperidin-4-yl]methoxy]quinazolin-4-amine with MolForge

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Related Compounds

Tandutinib
CID 3038522
5-{[1-(2-Fluorobenzyl)piperidin-4-yl]methoxy}quinazoline-2,4-diamine
CID 23729147
2-Aminoquinazoline 20
CID 5330318
4-[4-(5-Benzylpyrimidin-2-yl)piperazin-1-yl]-6,7-bis(2-methoxyethoxy)quinazoline
CID 117620118
N-benzyl-7-methoxyquinazolin-4-amine
CID 5328032
4-N-(3-methoxyphenyl)pyrido[4,3-d]pyrimidine-4,7-diamine
CID 5328061
2-Aminoquinazoline 9
CID 5330308
2-Aminoquinazoline 11
CID 5330310
2-Aminoquinazoline 12
CID 5330311
N(2)-[3-methoxy-4-(morpholin-4-yl)phenyl]-N(4)-(quinolin-3-yl)pyrimidine-2,4-diamine
CID 10202829
5-[(1E)-(methoxyimino)methyl]-6-(quinolin-7-yloxy)pyrimidin-4-amine
CID 23646046
Benzo[c][2,7]naphthyridine, 27
CID 44236924

Frequently Asked Questions

What is the IUPAC name of N-(1-benzylpiperidin-4-yl)-7-[[1-[2-(quinolin-4-ylamino)ethyl]piperidin-4-yl]methoxy]quinazolin-4-amine?
The IUPAC name of N-(1-benzylpiperidin-4-yl)-7-[[1-[2-(quinolin-4-ylamino)ethyl]piperidin-4-yl]methoxy]quinazolin-4-amine (CID 122469657) is N-(1-benzylpiperidin-4-yl)-7-[[1-[2-(quinolin-4-ylamino)ethyl]piperidin-4-yl]methoxy]quinazolin-4-amine.
What is the SMILES notation for N-(1-benzylpiperidin-4-yl)-7-[[1-[2-(quinolin-4-ylamino)ethyl]piperidin-4-yl]methoxy]quinazolin-4-amine?
The canonical SMILES for N-(1-benzylpiperidin-4-yl)-7-[[1-[2-(quinolin-4-ylamino)ethyl]piperidin-4-yl]methoxy]quinazolin-4-amine is c1ccc(CN2CCC(Nc3ncnc4cc(OCC5CCN(CCNc6ccnc7ccccc67)CC5)ccc34)CC2)cc1.
What is the InChIKey of N-(1-benzylpiperidin-4-yl)-7-[[1-[2-(quinolin-4-ylamino)ethyl]piperidin-4-yl]methoxy]quinazolin-4-amine?
The InChIKey is HPJCGZDRGSNCRL-UHFFFAOYSA-N. The full InChI is InChI=1S/C37H43N7O/c1-2-6-28(7-3-1)25-44-21-15-30(16-22-44)42-37-33-11-10-31(24-36(33)40-27-41-37)45-26-29-13-19-43(20-14-29)23-18-39-35-12-17-38-34-9-5-4-8-32(34)35/h1-12,17,24,27,29-30H,13-16,18-23,25-26H2,(H,38,39)(H,40,41,42).
What are the key properties of N-(1-benzylpiperidin-4-yl)-7-[[1-[2-(quinolin-4-ylamino)ethyl]piperidin-4-yl]methoxy]quinazolin-4-amine?
N-(1-benzylpiperidin-4-yl)-7-[[1-[2-(quinolin-4-ylamino)ethyl]piperidin-4-yl]methoxy]quinazolin-4-amine has a molecular weight of 601.80 g/mol, XLogP of 6.46, 11 rotatable bonds, 2 hydrogen bond donors, and 8 hydrogen bond acceptors.
Where does this data come from?
All data for N-(1-benzylpiperidin-4-yl)-7-[[1-[2-(quinolin-4-ylamino)ethyl]piperidin-4-yl]methoxy]quinazolin-4-amine is sourced from PubChem (CID 122469657), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).