2-amino-1-[4-[4-[(7-methoxy-8-propan-2-ylquinazolin-2-yl)amino]phenyl]piperazin-1-yl]ethanone

C24H30N6O2 — CID 5330312

IUPAC2-amino-1-[4-[4-[(7-methoxy-8-propan-2-ylquinazolin-2-yl)amino]phenyl]piperazin-1-yl]ethanone
SMILESCOc1ccc2cnc(Nc3ccc(N4CCN(C(=O)CN)CC4)cc3)nc2c1C(C)C
InChIInChI=1S/C24H30N6O2/c1-16(2)22-20(32-3)9-4-17-15-26-24(28-23(17)22)27-18-5-7-19(8-6-18)29-10-12-30(13-11-29)21(31)14-25/h4-9,15-16H,10-14,25H2,1-3H3,(H,26,27,28)
InChIKeyMWIAAIZWNCNGQO-UHFFFAOYSA-N
MW434.54 g/mol
LogP3.11
Rot. Bonds6

About 2-amino-1-[4-[4-[(7-methoxy-8-propan-2-ylquinazolin-2-yl)amino]phenyl]piperazin-1-yl]ethanone

2-amino-1-[4-[4-[(7-methoxy-8-propan-2-ylquinazolin-2-yl)amino]phenyl]piperazin-1-yl]ethanone (PubChem CID 5330312) has the molecular formula C24H30N6O2 and a molecular weight of 434.54 g/mol. Its IUPAC name is 2-amino-1-[4-[4-[(7-methoxy-8-propan-2-ylquinazolin-2-yl)amino]phenyl]piperazin-1-yl]ethanone.

Molecular Properties

Compound Name2-amino-1-[4-[4-[(7-methoxy-8-propan-2-ylquinazolin-2-yl)amino]phenyl]piperazin-1-yl]ethanone
PubChem CID5330312
Molecular FormulaC24H30N6O2
Molecular Weight434.54 g/mol
Exact Mass434.24
IUPAC Name2-amino-1-[4-[4-[(7-methoxy-8-propan-2-ylquinazolin-2-yl)amino]phenyl]piperazin-1-yl]ethanone
SMILESCOc1ccc2cnc(Nc3ccc(N4CCN(C(=O)CN)CC4)cc3)nc2c1C(C)C
InChIInChI=1S/C24H30N6O2/c1-16(2)22-20(32-3)9-4-17-15-26-24(28-23(17)22)27-18-5-7-19(8-6-18)29-10-12-30(13-11-29)21(31)14-25/h4-9,15-16H,10-14,25H2,1-3H3,(H,26,27,28)
InChIKeyMWIAAIZWNCNGQO-UHFFFAOYSA-N
XLogP3.11
TPSA96.61 Ų
H-Bond Donors2
H-Bond Acceptors7
Rotatable Bonds6
Heavy Atoms32
Complexity—

Lipinski Rule of Five

Passes Rule of Five

RuleValue
MW ≤ 500434.54
LogP ≤ 53.11
H-Bond Donors ≤ 52
H-Bond Acceptors ≤ 107

Computed Properties (RDKit)

Structural Alerts{'alert_name': 'anil_di_alk_A(478)', 'substructure': 'N/A'}

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Related Compounds

2-Aminoquinazoline 20
CID 5330318
2-Aminoquinazoline 27
CID 135399743
2-Aminoquinazoline 26
CID 135402987
2-Aminoquinazoline 6
CID 5330305
2-Aminoquinazoline 7
CID 5330306
2-Aminoquinazoline 8
CID 5330307
2-Aminoquinazoline 9
CID 5330308
2-Aminoquinazoline 10
CID 5330309
2-Aminoquinazoline 11
CID 5330310
2-Aminoquinazoline 12
CID 5330311
8-cyclopentyl-7-methoxy-N-phenylquinazolin-2-amine
CID 5330313
N-[4-(3-aminopyrrolidin-1-yl)phenyl]-8-cyclopentyl-7-methoxyquinazolin-2-amine
CID 5330315

Frequently Asked Questions

What is the IUPAC name of 2-amino-1-[4-[4-[(7-methoxy-8-propan-2-ylquinazolin-2-yl)amino]phenyl]piperazin-1-yl]ethanone?
The IUPAC name of 2-amino-1-[4-[4-[(7-methoxy-8-propan-2-ylquinazolin-2-yl)amino]phenyl]piperazin-1-yl]ethanone (CID 5330312) is 2-amino-1-[4-[4-[(7-methoxy-8-propan-2-ylquinazolin-2-yl)amino]phenyl]piperazin-1-yl]ethanone.
What is the SMILES notation for 2-amino-1-[4-[4-[(7-methoxy-8-propan-2-ylquinazolin-2-yl)amino]phenyl]piperazin-1-yl]ethanone?
The canonical SMILES for 2-amino-1-[4-[4-[(7-methoxy-8-propan-2-ylquinazolin-2-yl)amino]phenyl]piperazin-1-yl]ethanone is COc1ccc2cnc(Nc3ccc(N4CCN(C(=O)CN)CC4)cc3)nc2c1C(C)C.
What is the InChIKey of 2-amino-1-[4-[4-[(7-methoxy-8-propan-2-ylquinazolin-2-yl)amino]phenyl]piperazin-1-yl]ethanone?
The InChIKey is MWIAAIZWNCNGQO-UHFFFAOYSA-N. The full InChI is InChI=1S/C24H30N6O2/c1-16(2)22-20(32-3)9-4-17-15-26-24(28-23(17)22)27-18-5-7-19(8-6-18)29-10-12-30(13-11-29)21(31)14-25/h4-9,15-16H,10-14,25H2,1-3H3,(H,26,27,28).
What are the key properties of 2-amino-1-[4-[4-[(7-methoxy-8-propan-2-ylquinazolin-2-yl)amino]phenyl]piperazin-1-yl]ethanone?
2-amino-1-[4-[4-[(7-methoxy-8-propan-2-ylquinazolin-2-yl)amino]phenyl]piperazin-1-yl]ethanone has a molecular weight of 434.54 g/mol, XLogP of 3.11, 6 rotatable bonds, 2 hydrogen bond donors, and 7 hydrogen bond acceptors.
Where does this data come from?
All data for 2-amino-1-[4-[4-[(7-methoxy-8-propan-2-ylquinazolin-2-yl)amino]phenyl]piperazin-1-yl]ethanone is sourced from PubChem (CID 5330312), the world's largest open chemistry database maintained by the National Library of Medicine (NIH).